SCHEMBL631875

SCHEMBL631875

COC1=CC(c2cc3c(OC(=O)OC(C)(C)C)cccc3[nH]2)=NC1=Cc1[nH]c(C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
BCL2L1 Q07817 2/20 0.33
ASPH Q12797 2/20 0.33
BCL2 P10415 1/20 0.33
ADORA1 P30542 1/20 0.33
MCL1 Q07820 1/20 0.33
BCL2A1 Q16548 1/20 0.33
BCL2L2 Q92843 1/20 0.33
BAD Q92934 1/20 0.33
BCL2L10 Q9HD36 1/20 0.33
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL631874 1.00 RET (0.34) RETBCL2L1ASPHBCL2ADORA1
SCHEMBL630736 0.91 BCL2L1 (0.31) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL630737 0.91 BCL2L1 (0.31) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL14263344 0.83 RET (0.32) RETBCL2L1ASPHBCL2ADORA1
SCHEMBL630702 0.81 BCL2L1 (0.36) RETBCL2L1ASPHBCL2ADORA1
SCHEMBL630701 0.81 BCL2L1 (0.36) RETBCL2L1ASPHBCL2ADORA1
Obatoclax SCHEMBL631676 0.76 RAB9A (0.41) RETBCL2L1ASPHBCL2ADORA1
Obatoclax SCHEMBL29354696 0.76 RAB9A (0.41) RETBCL2L1ASPHBCL2ADORA1
Obatoclax SCHEMBL2751250 0.76 RAB9A (0.41) RETBCL2L1ASPHBCL2ADORA1
Obatoclax SCHEMBL29519876 0.76 RAB9A (0.41) RETBCL2L1ASPHBCL2ADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644363-B1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC (CA) 2012-02-22 EP claimed
US-20080318903-A1 METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 US claimed
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080318903-A1 METHODS FOR TREATING CANCER HCCS, EIF2AK2, ZC3HAV1 RET 1778/4885BCL2L1 662/4885ASPH 503/4885
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF ZC3HAV1, HCCS, PCNA RET 861/4885BCL2L1 709/4885ASPH 850/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.